4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine

C9H5ClF2N2O — CID 117333106

IUPAC4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)cc(Cl)c1F
InChIInChI=1S/C9H5ClF2N2O/c10-7-2-4(11)1-5(8(7)12)6-3-14-15-9(6)13/h1-3H,13H2
InChIKeyZMOYOBLWIZFKKB-UHFFFAOYSA-N
MW230.60 g/mol
LogP2.86
Rot. Bonds1

About 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine

4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine (PubChem CID 117333106) has the molecular formula C9H5ClF2N2O and a molecular weight of 230.60 g/mol. Its IUPAC name is 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
PubChem CID117333106
Molecular FormulaC9H5ClF2N2O
Molecular Weight230.60 g/mol
Exact Mass230.01
IUPAC Name4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine
SMILESNc1oncc1-c1cc(F)cc(Cl)c1F
InChIInChI=1S/C9H5ClF2N2O/c10-7-2-4(11)1-5(8(7)12)6-3-14-15-9(6)13/h1-3H,13H2
InChIKeyZMOYOBLWIZFKKB-UHFFFAOYSA-N
XLogP2.86
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.60
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine (CID 117333106) is 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine is Nc1oncc1-c1cc(F)cc(Cl)c1F.
What is the InChIKey of 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine?
The InChIKey is ZMOYOBLWIZFKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5ClF2N2O/c10-7-2-4(11)1-5(8(7)12)6-3-14-15-9(6)13/h1-3H,13H2.
What are the key properties of 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine?
4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine has a molecular weight of 230.60 g/mol, XLogP of 2.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chloro-2,5-difluorophenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117333106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).